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- From: Marty Blaber <martin.blaber@gmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] k-points for bandstructure
- Date: Sun, 15 Feb 2009 19:21:54 +1100
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Hi Anurag,
'Solid State Physics' by Ashcroft and Mermin is very good, as is 'Introduction to Solid State Physics' by Kittel. Both should give you enough information to build a Brillouin zone and determine the high symmetry points.
In the short term, here are two websites which are quite useful:
Crystal Structures
http://cst-www.nrl.navy.mil/
For reciprocal space information including special points etc, have a look at the Bilbao Crystallographic Server (look under kvec)
http://www.cryst.ehu.es/
Cheers,
Marty
2009/2/15 Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>
Hello Everyone,
I was reading the documentation for the bandstructure maker utility for ABINIT. The explanation is very useful.
However I would like to know of a web resource (or any other source like book, ...) to know the special k-points to chose for a bandstructure plot for any given crystal space group.
For some well known space groups it is very easy to find the "special k-points" however for something like space group 148 (R-3H) of YI3 how to choose the reciprocal space k-points and the spacing between them.
any suggestions are very much appreciated.
best regards,
Anurag
- [abinit-forum] ABINIT GUI, Quan Phung Manh, 02/14/2009
- Re: [abinit-forum] ABINIT GUI, 6671011, 02/14/2009
- Re: [abinit-forum] ABINIT GUI, Xavier Gonze, 02/15/2009
- [abinit-forum] k-points for bandstructure, Anurag Chaudhry, 02/15/2009
- Re: [abinit-forum] k-points for bandstructure, Marty Blaber, 02/15/2009
- Re: [abinit-forum] k-points for bandstructure, Hana Milani, 02/15/2009
- Re: [abinit-forum] k-points for bandstructure, Marty Blaber, 02/15/2009
- [abinit-forum] k-points for bandstructure, Anurag Chaudhry, 02/15/2009
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